=============== CISD_SC2 Module =============== Documentation ============= .. Do not edit this section. It was auto-generated from the .. NEEDED_MODULES file. `cisd_sc2 `_ CISD+SC2 method :: take off all the disconnected terms of a CISD (selected or not) .br dets_in : bitmasks corresponding to determinants .br u_in : guess coefficients on the various states. Overwritten on exit .br dim_in : leftmost dimension of u_in .br sze : Number of determinants .br N_st : Number of eigenstates .br Initial guess vectors are not necessarily orthonormal `repeat_excitation `_ Undocumented `cisd `_ Undocumented `ci_sc2_eigenvectors `_ Eigenvectors/values of the CI matrix `ci_sc2_electronic_energy `_ Eigenvectors/values of the CI matrix `ci_sc2_energy `_ N_states lowest eigenvalues of the CI matrix `diagonalize_ci_sc2 `_ Replace the coefficients of the CI states by the coefficients of the eigenstates of the CI matrix Needed Modules ============== .. Do not edit this section. It was auto-generated from the .. NEEDED_MODULES file. * `AOs `_ * `BiInts `_ * `Bitmask `_ * `CISD `_ * `Dets `_ * `Electrons `_ * `Ezfio_files `_ * `Hartree_Fock `_ * `MonoInts `_ * `MOs `_ * `Nuclei `_ * `Output `_ * `SingleRefMethod `_ * `Utils `_ * `Selectors_full `_